UCSF

ZINC41584845

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.65 10.89 -47.21 2 6 1 67 471.577 6
Hi High (pH 8-9.5) 4.65 9.16 -43.64 0 6 -1 69 469.561 6
Mid Mid (pH 6-8) 4.65 10.85 -47.96 2 6 1 67 471.577 6
Mid Mid (pH 6-8) 4.65 11.46 -30.82 1 6 0 70 470.569 6
Mid Mid (pH 6-8) 4.65 8.6 -9.83 1 6 0 66 470.569 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )